bmse010158 G-b1-G at BMRB

G-b1-G
bmse010158 - data

G-b1-G

Molecular Formula: C23 H24 O9
Natural Isotopic Abundance Mass: 444.43126
Mono-Isotopic Molecular Masses: C12N14: 444.1420323693; C13N14: 467.2191936387; C12N15: 444.1420323693; C13N15: 467.2191936387

G-b1-G

InCHi String:
InChI=1/C23H24O9/c1-13(24)30-12-18(16-6-8-19(31-14(2)25)21(10-16)28-4)23(27)17-7-9-20(32-15(3)26)22(11-17)29-5/h6-11,18H,12H2,1-5H3

Canonical and Isomeric SMILES:
CC(=O)OCC(C1=CC(=C(C=C1)OC(C)=O)OC)C(C2=CC(=C(C=C2)OC(C)=O)OC)=O

Lignin abbreviation
G-b1-G

PubChem Substance (SID):   111678026
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 233
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.